(1s,6r)-3-{[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[4,3-A]pyrazin-7(8h)-Yl]carbonyl}-6-(2,4,5-Trifluorophenyl)cyclohex-3-En-1-Amine

Base Information

• Chemical Name: (1s,6r)-3-{[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[4,3-A]pyrazin-7(8h)-Yl]carbonyl}-6-(2,4,5-Trifluorophenyl)cyclohex-3-En-1-Amine
• CAS No.: 913623-69-5
• Molecular Formula: C19H17F6N5O
• Nikkaji Number: J2.941.689C
• Wikidata: Q27097276
• Metabolomics Workbench ID: 151193

Synonyms:ABT 341;ABT-341;ABT341

Chemical Property of (1s,6r)-3-{[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[4,3-A]pyrazin-7(8h)-Yl]carbonyl}-6-(2,4,5-Trifluorophenyl)cyclohex-3-En-1-Amine

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 445.13372916
• Heavy Atom Count: 31
• Complexity: 720

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C3=CCC(C(C3)N)C4=CC(=C(C=C4F)F)F
• Isomeric SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C3=CC[C@@H]([C@H](C3)N)C4=CC(=C(C=C4F)F)F

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